Schulze Lammers, Bertram, Nieves López-Salas, Julya Stein Siena, Hossein Mirhosseini, Damla Yesilpinar, Julian Joachim Heske, Thomas Kühne, Harald Fuchs, Markus Antonietti, and Harry Mönig. “Real-Space Identification of Non-Noble Single Atomic Catalytic Sites within Metal-Coordinated Supramolecular Networks.”https://doi.org/10.1021/acsnano.2c04439__ACS Nano 16, no. 9 (2022): 14284–96.https://doi.org/10.1021/acsnano.2c04439 .

Elizabeth, Amala, Sudhir K. Sahoo, Himanshu Phirke, Tim Kodalle, Thomas Kühne, Jean-Nicolas Audinot, Tom Wirtz, et al. “Surface Passivation and Detrimental Heat-Induced Diffusion Effects in RbF-Treated Cu(In,Ga)Se<sub>2</sub> Solar Cell Absorbers.”https://doi.org/10.1021/acsami.2c08257__ACS Applied Materials &;amp; Interfaces 14, no. 29 (2022): 34101–12.https://doi.org/10.1021/acsami.2c08257 .

Raghuwanshi, Mohit, Manjusha Chugh, Giovanna Sozzi, Ana Kanevce, Thomas Kühne, Hossein Mirhosseini, Roland Wuerz, and Oana CojocaruMirédin. “Fingerprints Indicating Superior Properties of Internal Interfaces in Cu(In,Ga)Se            <sub>2</sub>            ThinFilm Solar Cells.”https://doi.org/10.1002/adma.202203954__Advanced Materials 34, no. 37 (2022).https://doi.org/10.1002/adma.202203954 .

Ibaceta-Jaña, Josefa, Manjusha Chugh, Alexander S. Novikov, Hossein Mirhosseini, Thomas Kühne, Bernd Szyszka, Markus R. Wagner, and Ruslan Muydinov. “Do Lead Halide Hybrid Perovskites Have Hydrogen Bonds?”https://doi.org/10.1021/acs.jpcc.2c02984__The Journal of Physical Chemistry C 126, no. 38 (2022): 16215–26.https://doi.org/10.1021/acs.jpcc.2c02984 .

Wang, Xia, Ramya Kormath Madam Raghupathy, Christine Joy Querebillo, Zhongquan Liao, Dongqi Li, Kui Lin, Martin Hantusch, et al. “Interfacial Covalent Bonds Regulated Electron-Deficient 2D Black Phosphorus for Electrocatalytic Oxygen Reactions.”https://doi.org/10.1002/adma.202008752__Advanced Materials 33, no. 20 (2021): 2008752.https://doi.org/10.1002/adma.202008752 .

Ghasemi, Alireza, Hossein Mirhosseini, and Thomas Kühne. “Thermodynamically Stable Polymorphs of Nitrogen-Rich Carbon Nitrides: A N5 Study.”https://doi.org/10.1039/D0CP06185A__Phys. Chem. Chem. Phys. 23 (2021): 6422–32.https://doi.org/10.1039/D0CP06185A .

Chugh, Manjusha, Mitisha Jain, Gang Wang, Ali Shaygan Nia, Hossein Mirhosseini, and Thomas Kühne. “A Combinatorial Study of Electrochemical Anion Intercalation into Graphite.”https://doi.org/10.1088/2053-1591/ac1965__Materials Research Express 8, no. 8 (2021).https://doi.org/10.1088/2053-1591/ac1965 .

Mirhosseini, Hossein, Hossein Tahmasbi, Sai Ram Kuchana, Alireza Ghasemi, and Thomas Kühne. “An Automated Approach for Developing Neural Network Interatomic Potentials with FLAME.”https://doi.org/10.1016/j.commatsci.2021.110567__Computational Materials Science 197 (2021).https://doi.org/10.1016/j.commatsci.2021.110567 .

Ranjbar, Ahmad, Hossein Mirhosseini, and Thomas Kühne. “On Topological Materials as Photocatalysts for Water Splitting by Visible Light.”https://doi.org/10.1088/2515-7639/ac363d__Journal of Physics: Materials 5, no. 1 (2021).https://doi.org/10.1088/2515-7639/ac363d .

Elizabeth, Amala, Hauke Conradi, Sudhir K. Sahoo, Tim Kodalle, Christian A. Kaufmann, Thomas Kühne, Hossein Mirhosseini, Daniel Abou-Ras, and Harry Mönig. “Correlating Facet Orientation, Defect-Level Density and Dipole Layer Formation at the Surface of Polycrystalline CuInSe2 Thin Films.”https://doi.org/10.1016/j.actamat.2020.09.028__Acta Materialia 200 (2020).https://doi.org/10.1016/j.actamat.2020.09.028 .

Wiebeler, Hendrik, Ramya Kormath Madam Raghupathy, S. Hossein Mirhosseini, and Thomas Kühne. “Virtual Screening of Nitrogen-, Phosphorous- and Halide-Containing Materials as p-Type Transparent Conductors.”https://doi.org/10.1088/2515-7639/abc762__Journal of Physics: Materials 4, no. 1 (2020): 015004.https://doi.org/10.1088/2515-7639/abc762 .

Elizabeth, Amala, Sudhir K. Sahoo, David Lockhorn, Alexander Timmer, Nabi Aghdassi, Helmut Zacharias, Thomas Kühne, Susanne Siebentritt, Hossein Mirhosseini, and Harry Mönig. “Oxidation/Reduction Cycles and Their Reversible Effect on the Dipole Formation at CuInSe2 Surfaces.”https://doi.org/10.1103/PhysRevMaterials.4.063401__Phys. Rev. Materials 4 (2020): 063401.https://doi.org/10.1103/PhysRevMaterials.4.063401 .

Mirhosseini, S. Hossein, Ramya Kormath Madam Raghupathy, Sudhir K. Sahoo, Hendrik Wiebeler, Manjusha Chugh, and Thomas Kühne. “In Silico Investigation of Cu(In,Ga)Se2-Based Solar Cells.”https://doi.org/10.1039/D0CP04712K__Phys. Chem. Chem. Phys. 22 (2020): 26682–701.https://doi.org/10.1039/D0CP04712K .

Yu, Minghao, Naisa Chandrasekhar, Ramya Kormath Madam Raghupathy, Khoa Hoang Ly, Haozhe Zhang, Evgenia Dmitrieva, Chaolun Liang, et al. “A High-Rate Two-Dimensional Polyarylimide Covalent Organic Framework Anode for Aqueous Zn-Ion Energy Storage Devices.”https://doi.org/10.1021/jacs.0c07992__Journal of the American Chemical Society 142, no. 46 (2020): 19570–78.https://doi.org/10.1021/jacs.0c07992 .

Ibaceta-Jaña, Josefa, Ruslan Muydinov, Pamela Rosado, Hossein Mirhosseini, Manjusha Chugh, Olga Nazarenko, Dmitry N. Dirin, et al. “Vibrational Dynamics in Lead Halide Hybrid Perovskites Investigated by Raman Spectroscopy.”https://doi.org/10.1039/C9CP06568G__Phys. Chem. Chem. Phys. 22 (2020): 5604–14.https://doi.org/10.1039/C9CP06568G .

Schöppe, Philipp, Sven Schönherr, Manjusha Chugh, Hossein Mirhosseini, Philip Jackson, Roland Wuerz, Maurizio Ritzer, et al. “Revealing the Origin of the Beneficial Effect of Cesium in Highly Efficient Cu(In,Ga)Se2 Solar Cells.”https://doi.org/10.1016/j.nanoen.2020.104622__Nano Energy 71 (2020): 104622.https://doi.org/10.1016/j.nanoen.2020.104622 .

Majumdar, I., S.K. Sahoo, V. Parvan, Hossein Mirhosseini, B. Chacko, Y. Wang, D. Greiner, Thomas Kühne, R. Schlatmann, and I. Lauermann. “Effects of KF and RbF Treatments on Cu(In,Ga)Se2-Based Solar Cells: A Combined Photoelectron Spectroscopy and DFT Study.”https://doi.org/10.1016/j.apsusc.2020.148085__Applied Surface Science 538 (2020).https://doi.org/10.1016/j.apsusc.2020.148085 .

Kodalle, Tim, Ramya Kormath Madam Raghupathy, Tobias Bertram, Natalia Maticiuc, Hasan A Yetkin, René Gunder, Rutger Schlatmann, Thomas D Kühne, Christian A Kaufmann, and Hossein Mirhosseini. “Properties of Co-Evaporated RbInSe2 Thin Films.”https://doi.org/10.1002/pssr.201800564__Physica Status Solidi (RRL)--Rapid Research Letters 13, no. 3 (2019): 1800564.https://doi.org/10.1002/pssr.201800564 .

Guc, Maxim, Tim Kodalle, Ramya Kormath Madam Raghupathy, Hossein Mirhosseini, Thomas Kühne, Ignacio Becerril-Romero, Alejandro Pérez-Rodríguez, Christian A. Kaufmann, and Victor Izquierdo-Roca. “Vibrational Properties of RbInSe2: Raman Scattering Spectroscopy and First-Principle Calculations.”https://doi.org/10.1021/acs.jpcc.9b08781__The Journal of Physical Chemistry C, 2019, 1285–91.https://doi.org/10.1021/acs.jpcc.9b08781 .

Chugh, Manjusha,https://doi.org/10.1021/acsami.9b02158__Thomas D. Kühne, and Hossein Mirhosseini. “Diffusion of Alkali Metals in Polycrystalline CuInSe2 and Their Role in the Passivation of Grain Boundaries.”https://doi.org/10.1021/acsami.9b02158__ACS Applied Materials &; Interfaces 11, no. 16 (2019): 1482114829.https://doi.org/10.1021/acsami.9b02158 .